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Substance Name: Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 19056-21-4
InChIKey: LSYHQRCOXFPRCU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H33-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 866.024
 
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Names and Synonyms

Synonym

  • 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate

Systematic Name

  • Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19056-21-4

System Generated Number

  • 0019056214

Molecular Formulas

Molecular Formula

  • C31-H33-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C31-H33-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C31H31N5O3.2C7H8O3S/c1-3-17-35-19-5-7-27(21-35)33-30(38)24-11-9-23(10-12-24)29(37)32-26-15-13-25(14-16-26)31(39)34-28-8-6-20-36(22-28)18-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-16,19-22H,3-4,17-18H2,1-2H3,(H-2,32,33,34,37,38,39);2*2-5H,1H3,(H,8,9,10)

InChIKey

LSYHQRCOXFPRCU-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1c(ccc[n+]1CCC)NC(c1ccc(cc1)NC(c1ccc(cc1)C(=O)Nc1c[n+](ccc1)CCC)=O)=O.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.